bis(2H-pyran-4-yl)methanone

C11H10O3 — CID 141279156

IUPACbis(2H-pyran-4-yl)methanone
SMILESO=C(C1=CCOC=C1)C1=CCOC=C1
InChIInChI=1S/C11H10O3/c12-11(9-1-5-13-6-2-9)10-3-7-14-8-4-10/h1-5,7H,6,8H2
InChIKeyVCWIRFMNJIPVOM-UHFFFAOYSA-N
MW190.20 g/mol
LogP1.50
Rot. Bonds2

About bis(2H-pyran-4-yl)methanone

bis(2H-pyran-4-yl)methanone (PubChem CID 141279156) has the molecular formula C11H10O3 and a molecular weight of 190.20 g/mol. Its IUPAC name is bis(2H-pyran-4-yl)methanone.

Molecular Properties

Compound Namebis(2H-pyran-4-yl)methanone
PubChem CID141279156
Molecular FormulaC11H10O3
Molecular Weight190.20 g/mol
Exact Mass190.06
IUPAC Namebis(2H-pyran-4-yl)methanone
SMILESO=C(C1=CCOC=C1)C1=CCOC=C1
InChIInChI=1S/C11H10O3/c12-11(9-1-5-13-6-2-9)10-3-7-14-8-4-10/h1-5,7H,6,8H2
InChIKeyVCWIRFMNJIPVOM-UHFFFAOYSA-N
XLogP1.50
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-Methoxy-5-methylcyclohexa-3,5-diene-1,2-dione
CID 12194853
4-Methoxycyclohexa-2,4-dien-1-one
CID 10890720
Benzopyran-5-one
CID 18782100
7H-1-Benzopyran-7-one
CID 21530759
Chromen-6(7 h)-one
CID 67662306
Pyran-4-yl-cyclohex-2-en-1-one
CID 69351460
Chromene-5,8-dione
CID 70426916
Xanthene-1,8(2h)-dione
CID 87091738
Dibenzopyrone
CID 87329071
5-Methoxy-toluchinon
CID 101141524
Benzo[1,2-b:5,4-b']dipyran-6-one
CID 129684675
Chromen-6-one
CID 129716310

Frequently Asked Questions

What is the IUPAC name of bis(2H-pyran-4-yl)methanone?
The IUPAC name of bis(2H-pyran-4-yl)methanone (CID 141279156) is bis(2H-pyran-4-yl)methanone.
What is the SMILES notation for bis(2H-pyran-4-yl)methanone?
The canonical SMILES for bis(2H-pyran-4-yl)methanone is O=C(C1=CCOC=C1)C1=CCOC=C1.
What is the InChIKey of bis(2H-pyran-4-yl)methanone?
The InChIKey is VCWIRFMNJIPVOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O3/c12-11(9-1-5-13-6-2-9)10-3-7-14-8-4-10/h1-5,7H,6,8H2.
What are the key properties of bis(2H-pyran-4-yl)methanone?
bis(2H-pyran-4-yl)methanone has a molecular weight of 190.20 g/mol, XLogP of 1.50, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2H-pyran-4-yl)methanone is sourced from PubChem (CID 141279156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).